(5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid

Base Information

• Chemical Name: (5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid
• CAS No.: 870822-78-9
• Molecular Formula: C₇H₅BClF₃O₃
• Molecular Weight: 240.374
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20681870
• Wikidata: Q82606047
• Mol file: 870822-78-9.mol

Synonyms:870822-78-9;(5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid;5-CHLORO-2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;[5-chloro-2-(trifluoromethoxy)phenyl]boronic acid;5-Chloro-2-(trifluoromethoxy)phenylboronicacid;Boronic acid, [5-chloro-2-(trifluoromethoxy)phenyl]-;(5-Chloro-2-(trifluoromethoxy)phenyl)boronicacid;SCHEMBL265147;DTXSID20681870;AMY42455;MFCD10697424;AKOS015850392;AB59575;BS-24101;5-chloro-2-trifluoromethoxyphenylboronic acid;FT-0699108;A51156;EN300-262222;A862868;Z1509487073

Chemical Property of (5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid

Chemical Property:

• PSA: 49.69000
• LogP: 0.91840
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 239.9972364
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

98% ^*data from raw suppliers

5-Chloro-2-(trifluoromethoxy)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1)Cl)OC(F)(F)F)(O)O
• Uses: 5-Chloro-2-(trifluoromethoxy)phenylboronic acid

Technology Process of (5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid

There total 3 articles about (5-Chloro-2-(trifluoromethoxy)phenyl)boronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-chloro-4-(trifluoromethoxy)benzene (461-81-4) → 5-chloro-2-trifluoromethoxyphenylboronic acid (870822-78-9) + [2-chloro-5-(trifluoromethoxy)phenyl]boronic acid (1022922-16-2)

Guidance literature:

1-chloro-4-(trifluoromethoxy)benzene; With ethylenediaminetetraacetic acid; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 2h;

With fluorodimethoxyborane; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 1h;

With sodium hydroxide; water; more than 3 stages;

Reference yield:

C9H9BClF3O3 + C9H9BClF3O3 → 5-chloro-2-trifluoromethoxyphenylboronic acid (870822-78-9) + [2-chloro-5-(trifluoromethoxy)phenyl]boronic acid (1022922-16-2)

Guidance literature:

With sodium hydroxide; water; In diethyl ether;

Reference yield:

C9H9BClF3O3 → 5-chloro-2-trifluoromethoxyphenylboronic acid (870822-78-9)

Guidance literature:

With hydrogenchloride; water;

upstream raw materials:

1-chloro-4-(trifluoromethoxy)benzene

Refernces

• 1、 -. "N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN". Page/Page column 56-57. . Retrieved 2009/01/20.